Entering Gaussian System, Link 0=/share/apps/gaussian/g09/g09 Initial command: /share/apps/gaussian/g09/l1.exe "/scratch/webmo-13362/324267/Gau-8468.inp" -scrdir="/scratch/webmo-13362/324267/" Entering Link 1 = /share/apps/gaussian/g09/l1.exe PID= 8469. Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2013, Gaussian, Inc. All Rights Reserved. This is part of the Gaussian(R) 09 program. It is based on the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.), the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.), the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.), the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.), the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.), the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.), the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon University), and the Gaussian 82(TM) system (copyright 1983, Carnegie Mellon University). Gaussian is a federally registered trademark of Gaussian, Inc. 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By using this program, the user acknowledges that Gaussian, Inc. is engaged in the business of creating and licensing software in the field of computational chemistry and represents and warrants to the licensee that it is not a competitor of Gaussian, Inc. and that it will not use this program in any manner prohibited above. --------------------------------------------------------------- Cite this work as: Gaussian 09, Revision D.01, M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, B. Mennucci, G. A. Petersson, H. Nakatsuji, M. Caricato, X. Li, H. P. Hratchian, A. F. Izmaylov, J. Bloino, G. Zheng, J. L. Sonnenberg, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, T. Vreven, J. A. Montgomery, Jr., J. E. Peralta, F. Ogliaro, M. Bearpark, J. J. Heyd, E. Brothers, K. N. Kudin, V. N. Staroverov, T. Keith, R. Kobayashi, J. Normand, K. Raghavachari, A. Rendell, J. C. Burant, S. S. Iyengar, J. Tomasi, M. Cossi, N. Rega, J. M. Millam, M. Klene, J. E. Knox, J. B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann, O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski, R. L. Martin, K. Morokuma, V. G. Zakrzewski, G. A. Voth, P. Salvador, J. J. Dannenberg, S. Dapprich, A. D. Daniels, O. Farkas, J. B. Foresman, J. V. Ortiz, J. Cioslowski, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2013. ****************************************** Gaussian 09: EM64L-G09RevD.01 24-Apr-2013 25-Jan-2019 ****************************************** --------------------------------------- #N B3LYP/6-31G(d) NMR Geom=Connectivity --------------------------------------- 1/38=1,57=2/1; 2/12=2,17=6,18=5,40=1/2; 3/5=1,6=6,7=1,11=2,16=1,25=1,30=1,74=-5/1,2,8,3; 4//1; 5/5=2,38=5/2; 8/6=1,10=90,11=11/1; 10/13=100,45=16/2; 6/7=2,8=2,9=2,10=2,28=1/1; 99/9=1/99; -------------- 2-Bromopropane -------------- Symbolic Z-matrix: Charge = 0 Multiplicity = 1 C C 1 B1 H 2 B2 1 A1 H 2 B3 1 A2 3 D1 0 H 2 B4 1 A3 3 D2 0 C 1 B5 2 A4 3 D3 0 H 6 B6 1 A5 2 D4 0 H 6 B7 1 A6 2 D5 0 H 6 B8 1 A7 2 D6 0 H 1 B9 2 A8 3 D7 0 Br 1 B10 2 A9 3 D8 0 Variables: B1 1.52085 B2 1.09333 B3 1.09472 B4 1.09841 B5 1.52085 B6 1.09333 B7 1.09841 B8 1.09472 B9 1.09147 B10 2.00866 A1 111.49412 A2 110.97272 A3 109.37449 A4 114.12696 A5 111.49412 A6 109.37449 A7 110.97272 A8 110.96134 A9 108.72871 D1 120.90436 D2 -119.78843 D3 -178.91068 D4 178.91068 D5 -61.3009 D6 58.00632 D7 54.83715 D8 -57.35383 Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 0.000000 0.000000 0.000000 2 6 0 0.000000 0.000000 1.520854 3 1 0 1.017294 0.000000 1.921456 4 1 0 -0.525009 0.877074 1.912681 5 1 0 -0.514789 -0.899293 1.885243 6 6 0 -1.387744 0.026387 -0.621664 7 1 0 -1.337238 0.044770 -1.713671 8 1 0 -1.940882 -0.872177 -0.316482 9 1 0 -1.950136 0.904172 -0.287551 10 1 0 0.586983 -0.833248 -0.390461 11 35 0 1.026193 1.601769 -0.644955 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.520854 0.000000 3 H 2.174138 1.093329 0.000000 4 H 2.168696 1.094725 1.774270 0.000000 5 H 2.151250 1.098415 1.776884 1.776609 0.000000 6 C 1.520854 2.552824 3.500337 2.809072 2.811319 7 H 2.174138 3.500337 4.331278 3.808264 3.810494 8 H 2.151250 2.811319 3.810494 3.167609 2.623370 9 H 2.168696 2.809072 3.808264 2.621592 3.167609 10 H 1.091472 2.166097 2.494880 3.076718 2.529247 11 Br 2.008657 2.882614 3.025261 3.077810 3.877091 6 7 8 9 10 6 C 0.000000 7 H 1.093329 0.000000 8 H 1.098415 1.776884 0.000000 9 H 1.094725 1.774270 1.776609 0.000000 10 H 2.166097 2.494880 2.529247 3.076718 0.000000 11 Br 2.882614 3.025261 3.877092 3.077810 2.487364 11 11 Br 0.000000 Stoichiometry C3H7Br Framework group CS[SG(CHBr),X(C2H6)] Deg. of freedom 15 Full point group CS NOp 2 Largest Abelian subgroup CS NOp 2 Largest concise Abelian subgroup CS NOp 2 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 0.452875 -0.922218 0.000000 2 6 0 -0.065732 -1.566279 1.276412 3 1 0 0.317972 -1.058918 2.165639 4 1 0 -1.159659 -1.542533 1.310796 5 1 0 0.256034 -2.615916 1.311685 6 6 0 -0.065732 -1.566279 -1.276412 7 1 0 0.317972 -1.058918 -2.165639 8 1 0 0.256034 -2.615916 -1.311685 9 1 0 -1.159659 -1.542533 -1.310796 10 1 0 1.543466 -0.878362 0.000000 11 35 0 -0.065732 1.018336 0.000000 --------------------------------------------------------------------- Rotational constants (GHZ): 7.9603285 2.8469747 2.2461356 Standard basis: 6-31G(d) (6D, 7F) There are 56 symmetry adapted cartesian basis functions of A' symmetry. There are 33 symmetry adapted cartesian basis functions of A" symmetry. There are 56 symmetry adapted basis functions of A' symmetry. There are 33 symmetry adapted basis functions of A" symmetry. 89 basis functions, 195 primitive gaussians, 89 cartesian basis functions 30 alpha electrons 30 beta electrons nuclear repulsion energy 248.9751425968 Hartrees. NAtoms= 11 NActive= 11 NUniq= 7 SFac= 2.47D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 2 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. NBasis= 89 RedAO= T EigKep= 1.06D-03 NBF= 56 33 NBsUse= 89 1.00D-06 EigRej= -1.00D+00 NBFU= 56 33 ExpMin= 1.43D-01 ExpMax= 5.74D+05 ExpMxC= 5.74D+03 IAcc=2 IRadAn= 4 AccDes= 0.00D+00 Harris functional with IExCor= 402 and IRadAn= 4 diagonalized for initial guess. HarFok: IExCor= 402 AccDes= 0.00D+00 IRadAn= 4 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Initial guess orbital symmetries: Occupied (A') (A') (A') (A") (A') (A") (A') (A') (A') (A') (A") (A') (A') (A") (A') (A") (A') (A') (A') (A") (A') (A') (A') (A") (A") (A") (A') (A') (A") (A') Virtual (A') (A') (A') (A") (A') (A') (A") (A") (A') (A") (A') (A") (A') (A") (A') (A') (A') (A") (A') (A") (A') (A') (A") (A') (A") (A') (A') (A") (A') (A") (A") (A') (A') (A") (A') (A') (A") (A") (A') (A') (A') (A") (A') (A") (A') (A") (A') (A') (A") (A') (A") (A') (A') (A") (A') (A") (A') (A') (A') The electronic state of the initial guess is 1-A'. Keep R1 ints in memory in symmetry-blocked form, NReq=12110559. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. EnCoef did 100 forward-backward iterations Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RB3LYP) = -2690.25285995 A.U. after 13 cycles NFock= 13 Conv=0.79D-08 -V/T= 2.0063 DoSCS=F DFT=T ScalE2(SS,OS)= 1.000000 1.000000 Range of M.O.s used for correlation: 1 89 NBasis= 89 NAE= 30 NBE= 30 NFC= 0 NFV= 0 NROrb= 89 NOA= 30 NOB= 30 NVA= 59 NVB= 59 **** Warning!!: The largest alpha MO coefficient is 0.19697488D+02 Differentiating once with respect to magnetic field using GIAOs. Electric field/nuclear overlap derivatives assumed to be zero. Keep R3 ints in memory in symmetry-blocked form, NReq=12070188. FoFJK: IHMeth= 1 ICntrl= 6127 DoSepK=F KAlg= 0 I1Cent= 0 FoldK=F IRaf= 1 NMat= 1 IRICut= 1 DoRegI=T DoRafI=F ISym2E= 0. There are 3 degrees of freedom in the 1st order CPHF. IDoFFX=0 NUNeed= 3. 3 vectors produced by pass 0 Test12= 5.90D-14 3.33D-08 XBig12= 3.89D+00 6.72D-01. AX will form 3 AO Fock derivatives at one time. 3 vectors produced by pass 1 Test12= 5.90D-14 3.33D-08 XBig12= 6.72D-03 5.17D-02. 3 vectors produced by pass 2 Test12= 5.90D-14 3.33D-08 XBig12= 3.37D-05 3.37D-03. 3 vectors produced by pass 3 Test12= 5.90D-14 3.33D-08 XBig12= 5.93D-08 1.06D-04. 3 vectors produced by pass 4 Test12= 5.90D-14 3.33D-08 XBig12= 2.01D-10 5.02D-06. 2 vectors produced by pass 5 Test12= 5.90D-14 3.33D-08 XBig12= 2.63D-13 1.36D-07. InvSVY: IOpt=1 It= 1 EMax= 2.78D-17 Solved reduced A of dimension 17 with 3 vectors. Calculating GIAO nuclear magnetic shielding tensors. SCF GIAO Magnetic shielding tensor (ppm): 1 C Isotropic = 131.9333 Anisotropy = 59.2128 XX= 101.4402 YX= -19.5986 ZX= 0.0000 XY= -22.1582 YY= 165.1784 ZY= 0.0000 XZ= 0.0000 YZ= 0.0000 ZZ= 129.1813 Eigenvalues: 95.2102 129.1813 171.4085 2 C Isotropic = 161.6306 Anisotropy = 38.6165 XX= 144.0285 YX= 2.6061 ZX= -10.0916 XY= 0.1652 YY= 167.4877 ZY= -15.2572 XZ= -5.7668 YZ= -15.7959 ZZ= 173.3755 Eigenvalues: 141.6996 155.8172 187.3749 3 H Isotropic = 30.4497 Anisotropy = 8.4874 XX= 26.4329 YX= 0.5282 ZX= 1.1931 XY= 0.7857 YY= 29.1621 ZY= -1.3511 XZ= 2.3423 YZ= 0.1899 ZZ= 35.7543 Eigenvalues: 25.9332 29.3080 36.1080 4 H Isotropic = 30.6118 Anisotropy = 6.4005 XX= 32.5431 YX= 1.0298 ZX= -1.7455 XY= 1.8401 YY= 29.5248 ZY= -1.8836 XZ= -3.1797 YZ= -1.7980 ZZ= 29.7675 Eigenvalues: 27.6605 29.2961 34.8788 5 H Isotropic = 30.8931 Anisotropy = 10.2112 XX= 27.0153 YX= -1.2291 ZX= 0.2095 XY= -2.0481 YY= 35.8739 ZY= -2.9347 XZ= 0.2504 YZ= -4.0529 ZZ= 29.7902 Eigenvalues: 26.6412 28.3377 37.7006 6 C Isotropic = 161.6306 Anisotropy = 38.6165 XX= 144.0285 YX= 2.6061 ZX= 10.0916 XY= 0.1652 YY= 167.4877 ZY= 15.2572 XZ= 5.7668 YZ= 15.7959 ZZ= 173.3755 Eigenvalues: 141.6996 155.8172 187.3749 7 H Isotropic = 30.4497 Anisotropy = 8.4874 XX= 26.4329 YX= 0.5282 ZX= -1.1931 XY= 0.7857 YY= 29.1621 ZY= 1.3511 XZ= -2.3423 YZ= -0.1899 ZZ= 35.7543 Eigenvalues: 25.9332 29.3080 36.1080 8 H Isotropic = 30.8931 Anisotropy = 10.2112 XX= 27.0153 YX= -1.2291 ZX= -0.2095 XY= -2.0481 YY= 35.8739 ZY= 2.9347 XZ= -0.2504 YZ= 4.0529 ZZ= 29.7902 Eigenvalues: 26.6412 28.3377 37.7006 9 H Isotropic = 30.6118 Anisotropy = 6.4005 XX= 32.5431 YX= 1.0298 ZX= 1.7455 XY= 1.8401 YY= 29.5248 ZY= 1.8836 XZ= 3.1797 YZ= 1.7980 ZZ= 29.7675 Eigenvalues: 27.6605 29.2961 34.8788 10 H Isotropic = 27.8697 Anisotropy = 8.5348 XX= 31.5298 YX= -2.7048 ZX= 0.0000 XY= -3.7294 YY= 28.4607 ZY= 0.0000 XZ= 0.0000 YZ= 0.0000 ZZ= 23.6186 Eigenvalues: 23.6186 26.4309 33.5596 11 Br Isotropic = 2193.7427 Anisotropy = 1243.5547 XX= 1783.7373 YX= -338.3884 ZX= 0.0000 XY= -289.1755 YY= 2943.3152 ZY= 0.0000 XZ= 0.0000 YZ= 0.0000 ZZ= 1854.1756 Eigenvalues: 1704.2734 1854.1756 3022.7791 End of Minotr F.D. properties file 721 does not exist. End of Minotr F.D. properties file 722 does not exist. End of Minotr F.D. properties file 788 does not exist. ********************************************************************** Population analysis using the SCF density. ********************************************************************** Orbital symmetries: Occupied (A') (A') (A') (A") (A') (A') (A") (A') (A') (A') (A') (A") (A') (A") (A') (A") (A') (A') (A') (A") (A') (A') (A') (A") (A") (A') (A") (A') (A') (A") Virtual (A') (A') (A') (A") (A') (A') (A") (A") (A') (A") (A') (A") (A') (A') (A") (A') (A') (A") (A') (A') (A") (A') (A") (A') (A") (A') (A') (A") (A') (A") (A") (A') (A') (A") (A') (A') (A") (A") (A') (A') (A') (A") (A') (A") (A') (A") (A') (A') (A") (A') (A") (A') (A') (A") (A') (A") (A') (A') (A') The electronic state is 1-A'. Alpha occ. eigenvalues -- -482.88594 -61.84835 -56.36890 -56.36527 -56.36524 Alpha occ. eigenvalues -- -10.25070 -10.19176 -10.19175 -8.55966 -6.51295 Alpha occ. eigenvalues -- -6.50098 -6.50098 -2.62868 -2.62532 -2.62532 Alpha occ. eigenvalues -- -2.61579 -2.61578 -0.82518 -0.72458 -0.70225 Alpha occ. eigenvalues -- -0.58494 -0.47249 -0.44942 -0.42547 -0.40080 Alpha occ. eigenvalues -- -0.36626 -0.36499 -0.33386 -0.26561 -0.26530 Alpha virt. eigenvalues -- 0.00200 0.08710 0.13025 0.14275 0.14831 Alpha virt. eigenvalues -- 0.16402 0.17628 0.18221 0.20219 0.23529 Alpha virt. eigenvalues -- 0.29482 0.42405 0.43088 0.45767 0.46636 Alpha virt. eigenvalues -- 0.47412 0.51094 0.52210 0.53081 0.55849 Alpha virt. eigenvalues -- 0.56114 0.66292 0.68349 0.69354 0.76337 Alpha virt. eigenvalues -- 0.79073 0.81006 0.84565 0.87789 0.88500 Alpha virt. eigenvalues -- 0.90497 0.91475 0.94263 0.97081 0.98351 Alpha virt. eigenvalues -- 1.13913 1.38942 1.44248 1.52517 1.53476 Alpha virt. eigenvalues -- 1.63758 1.74043 1.87699 1.91501 1.95552 Alpha virt. eigenvalues -- 2.03220 2.06713 2.21029 2.23661 2.23817 Alpha virt. eigenvalues -- 2.37986 2.40023 2.55940 2.64863 4.11741 Alpha virt. eigenvalues -- 4.26529 4.44470 8.64258 73.08966 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 C 4.931011 0.363462 -0.028839 -0.033944 -0.029563 0.363462 2 C 0.363462 5.120435 0.375516 0.375989 0.354959 -0.050187 3 H -0.028839 0.375516 0.539107 -0.027946 -0.028071 0.004858 4 H -0.033944 0.375989 -0.027946 0.545037 -0.028746 -0.005448 5 H -0.029563 0.354959 -0.028071 -0.028746 0.577979 -0.002857 6 C 0.363462 -0.050187 0.004858 -0.005448 -0.002857 5.120435 7 H -0.028839 0.004858 -0.000160 -0.000032 -0.000098 0.375516 8 H -0.029563 -0.002857 -0.000098 -0.000104 0.002818 0.354959 9 H -0.033944 -0.005448 -0.000032 0.004868 -0.000104 0.375989 10 H 0.377472 -0.045220 -0.003421 0.005228 -0.002043 -0.045220 11 Br 0.261191 -0.056619 -0.000428 -0.000775 0.005178 -0.056619 7 8 9 10 11 1 C -0.028839 -0.029563 -0.033944 0.377472 0.261191 2 C 0.004858 -0.002857 -0.005448 -0.045220 -0.056619 3 H -0.000160 -0.000098 -0.000032 -0.003421 -0.000428 4 H -0.000032 -0.000104 0.004868 0.005228 -0.000775 5 H -0.000098 0.002818 -0.000104 -0.002043 0.005178 6 C 0.375516 0.354959 0.375989 -0.045220 -0.056619 7 H 0.539107 -0.028071 -0.027946 -0.003421 -0.000428 8 H -0.028071 0.577979 -0.028746 -0.002043 0.005178 9 H -0.027946 -0.028746 0.545037 0.005228 -0.000775 10 H -0.003421 -0.002043 0.005228 0.577167 -0.044650 11 Br -0.000428 0.005178 -0.000775 -0.044650 35.059862 Mulliken charges: 1 1 C -0.111905 2 C -0.434887 3 H 0.169515 4 H 0.165873 5 H 0.150548 6 C -0.434887 7 H 0.169515 8 H 0.150548 9 H 0.165873 10 H 0.180923 11 Br -0.171116 Sum of Mulliken charges = 0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 C 0.069019 2 C 0.051049 6 C 0.051049 11 Br -0.171116 Electronic spatial extent (au): = 565.9645 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= 0.4639 Y= -2.2699 Z= 0.0000 Tot= 2.3169 Quadrupole moment (field-independent basis, Debye-Ang): XX= -38.0275 YY= -37.0261 ZZ= -38.0294 XY= -0.7077 XZ= 0.0000 YZ= 0.0000 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= -0.3332 YY= 0.6682 ZZ= -0.3350 XY= -0.7077 XZ= 0.0000 YZ= 0.0000 Octapole moment (field-independent basis, Debye-Ang**2): XXX= -1.4363 YYY= 30.5676 ZZZ= 0.0000 XYY= -0.9429 XXY= 8.8172 XXZ= 0.0000 XZZ= 0.0730 YZZ= 9.0471 YYZ= 0.0000 XYZ= 0.0000 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -68.0459 YYYY= -406.9703 ZZZZ= -210.1966 XXXY= 6.7899 XXXZ= 0.0000 YYYX= -0.3257 YYYZ= 0.0000 ZZZX= 0.0000 ZZZY= 0.0000 XXYY= -83.0741 XXZZ= -47.7315 YYZZ= -108.3976 XXYZ= 0.0000 YYXZ= 0.0000 ZZXY= 1.7677 N-N= 2.489751425968D+02 E-N=-6.905757034219D+03 KE= 2.673334651912D+03 Symmetry A' KE= 2.255077548137D+03 Symmetry A" KE= 4.182571037750D+02 1\1\GINC-COMPUTE-0-5\SP\RB3LYP\6-31G(d)\C3H7Br1\AVANAARTSEN\25-Jan-201 9\0\\#N B3LYP/6-31G(d) NMR Geom=Connectivity\\2-Bromopropane\\0,1\C\C, 1,1.520853506\H,2,1.093329137,1,111.4941176\H,2,1.094724812,1,110.9727 217,3,120.9043594,0\H,2,1.098414938,1,109.3744935,3,-119.788425,0\C,1, 1.520853506,2,114.1269585,3,-178.910679,0\H,6,1.093329137,1,111.494117 6,2,178.910679,0\H,6,1.098414938,1,109.3744935,2,-61.300896,0\H,6,1.09 4724812,1,110.9727217,2,58.00631963,0\H,1,1.091472436,2,110.9613375,3, 54.83715147,0\Br,1,2.008657026,2,108.7287123,3,-57.35383422,0\\Version =EM64L-G09RevD.01\State=1-A'\HF=-2690.25286\RMSD=7.907e-09\Dipole=-0.5 009811,-0.692863,0.3159604\Quadrupole=-0.2765774,0.5437088,-0.2671314, 0.4153325,0.0229157,-0.2592535\PG=CS [SG(C1H1Br1),X(C2H6)]\\@ TELEVISION IS CALLED A MEDIUM BECAUSE IT ISN'T RARE, AND IT ISN'T WELL DONE. Job cpu time: 0 days 0 hours 0 minutes 13.6 seconds. File lengths (MBytes): RWF= 6 Int= 0 D2E= 0 Chk= 2 Scr= 1 Normal termination of Gaussian 09 at Fri Jan 25 11:25:53 2019.